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Volumn 1008, Issue , 2013, Pages 61-66

Branching ratio of gas-phase reaction of CH3C(O)CHCl2+OH: A theoretical dynamic study

Author keywords

Rate constants; Reaction mechanism; Theoretical calculation

Indexed keywords


EID: 84872868291     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2012.12.019     Document Type: Article
Times cited : (3)

References (26)
  • 1
    • 0016322177 scopus 로고
    • Stratospheric sink for chlorofluoromethanes: chlorine atom-catalysed destruction of ozone
    • Molina M.J., Rowland F.S. Stratospheric sink for chlorofluoromethanes: chlorine atom-catalysed destruction of ozone. Nature 1974, 249:810-812.
    • (1974) Nature , vol.249 , pp. 810-812
    • Molina, M.J.1    Rowland, F.S.2
  • 4
    • 0037027742 scopus 로고    scopus 로고
    • Variational transition-state theory rate constant calculations with multidimensional tunneling corrections of the reaction of acetone with OH
    • Laura M., Àngels G.L., José M.L. Variational transition-state theory rate constant calculations with multidimensional tunneling corrections of the reaction of acetone with OH. J. Phys. Chem. A 2002, 106:11760-11770.
    • (2002) J. Phys. Chem. A , vol.106 , pp. 11760-11770
    • Laura, M.1    Àngels, G.L.2    José, M.L.3
  • 6
    • 0028981352 scopus 로고
    • High concentrations and photochemical fate of oxygenated hydrocarbons in the global troposphere
    • Singh H.B., Kanakidou M., Crutzen P.J., Jacob D.J. High concentrations and photochemical fate of oxygenated hydrocarbons in the global troposphere. Nature 1995, 378:50-54.
    • (1995) Nature , vol.378 , pp. 50-54
    • Singh, H.B.1    Kanakidou, M.2    Crutzen, P.J.3    Jacob, D.J.4
  • 7
    • 0022852737 scopus 로고
    • Acetone measurements in the upper troposphere and lower stratosphere-implications for hydroxyl radical abundances
    • Arnold F., Knop G., Ziereis H. Acetone measurements in the upper troposphere and lower stratosphere-implications for hydroxyl radical abundances. Nature 1986, 321:505-507.
    • (1986) Nature , vol.321 , pp. 505-507
    • Arnold, F.1    Knop, G.2    Ziereis, H.3
  • 9
    • 0141457361 scopus 로고    scopus 로고
    • A kinetic and mechanistic study of the gas-phase reactions of OH radicals and Cl atoms with some halogenated acetones and their atmospheric implications
    • Carr S., Shallcross D.E., Canosa-Mas C.E., Wenger J.C., Sidebottom H.W., Treacy J.J., Wayne R.P. A kinetic and mechanistic study of the gas-phase reactions of OH radicals and Cl atoms with some halogenated acetones and their atmospheric implications. Phys. Chem. Chem. Phys. 2003, 5:3874-3883.
    • (2003) Phys. Chem. Chem. Phys. , vol.5 , pp. 3874-3883
    • Carr, S.1    Shallcross, D.E.2    Canosa-Mas, C.E.3    Wenger, J.C.4    Sidebottom, H.W.5    Treacy, J.J.6    Wayne, R.P.7
  • 16
    • 33750614386 scopus 로고
    • Reaction path following in mass-weighted internal coordinates
    • Gonzalez C., Schlegel H.B. Reaction path following in mass-weighted internal coordinates. J. Phys. Chem. 1990, 94:5523-5527.
    • (1990) J. Phys. Chem. , vol.94 , pp. 5523-5527
    • Gonzalez, C.1    Schlegel, H.B.2
  • 17
    • 14844366310 scopus 로고    scopus 로고
    • The 6-31B(d) basis set and the BMC-QCISD and BMC-CCSD multicoefficient correlation methods
    • Lynch B.J., Zhao Y., Truhlar D.G. The 6-31B(d) basis set and the BMC-QCISD and BMC-CCSD multicoefficient correlation methods. J. Phys. Chem. A 2005, 109:1643-1649.
    • (2005) J. Phys. Chem. A , vol.109 , pp. 1643-1649
    • Lynch, B.J.1    Zhao, Y.2    Truhlar, D.G.3
  • 19
    • 0001674168 scopus 로고
    • Criterion of minimum state density in the transition state theory of bimolecular reactions
    • Garrett B.C., Truhlar D.G. Criterion of minimum state density in the transition state theory of bimolecular reactions. J. Chem. Phys. 1979, 70:1593-1598.
    • (1979) J. Chem. Phys. , vol.70 , pp. 1593-1598
    • Garrett, B.C.1    Truhlar, D.G.2
  • 20
    • 79954585410 scopus 로고
    • Molecular modeling of the kinetic isotope effect for the [1,5]-sigmatropic rearrangement of cis-1,3-pentadiene
    • Liu Y.-P., Lynch G.C., Truong T.N., Lu D.-h., Truhlar D.G., Garrett B.C. Molecular modeling of the kinetic isotope effect for the [1,5]-sigmatropic rearrangement of cis-1,3-pentadiene. J. Am. Chem. Soc. 1993, 115:2408-2415.
    • (1993) J. Am. Chem. Soc. , vol.115 , pp. 2408-2415
    • Liu, Y.-P.1    Lynch, G.C.2    Truong, T.N.3    Lu, D.-H.4    Truhlar, D.G.5    Garrett, B.C.6
  • 22
    • 33751157210 scopus 로고
    • Ab initio studies of the reactions of chlorine atoms with fluoro- and chloro-substituted methanes
    • Rayerz M.T., Rayez J.C., Sawerysyn J.P. Ab initio studies of the reactions of chlorine atoms with fluoro- and chloro-substituted methanes. J. Phys. Chem. 1994, 98:11342-11352.
    • (1994) J. Phys. Chem. , vol.98 , pp. 11342-11352
    • Rayerz, M.T.1    Rayez, J.C.2    Sawerysyn, J.P.3
  • 24
    • 5244245983 scopus 로고
    • A correlation of reaction rates
    • Hammond G.S. A correlation of reaction rates. J. Am. Chem. Soc. 1955, 77:334-338.
    • (1955) J. Am. Chem. Soc. , vol.77 , pp. 334-338
    • Hammond, G.S.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.